GD005416

Name:

None

Formula:

C43H69O16N15S2

Smiles:

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC=O)[C@H](C)O)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)cccc32)[C@H](O)[C@H]1O

Aglycone:

CCC(C)C(NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC=O)C(C)O)C(=O)NS(=O)(=O)OC.Nc1cccc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL3265251

AD00730

Formula: C32H58O13N12S2

Smiles:

CCC(C)C(NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC=O)C(C)O)C(=O)NS(=O)(=O)OC

HBA:	25	RingCount:	0
HBD:	15	FractionCSP3:	0.69
AlogP:	-6.01	Num_rotatable_bonds:	29
MolWt:	883.02	Num_heavy_atoms:	59
TPSA:	401.39	NumAromaticRings:	0

AD03003

Formula: C7H6N3

Smiles:

Nc1cccc2c1N=C[N]2

HBA:	3	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	1.18	Num_rotatable_bonds:	0
MolWt:	132.15	Num_heavy_atoms:	10
TPSA:	52.48	NumAromaticRings:	1